ethyl 4-[[4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[1-(3,4-dimethylphenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[1-(3,4-dimethylphenyl)-6-keto-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H29N5O4/c1-4-35-25(33)20-6-8-21(9-7-20)27-26(34)30-15-13-29(14-16-30)23-11-12-24(32)31(28-23)22-10-5-18(2)19(3)17-22/h5-12,17H,4,13-16H2,1-3H3,(H,27,34)